tert-butyl 4-piperidin-4-ylbenzoate

C16H23NO2 — CID 162482352

IUPACtert-butyl 4-piperidin-4-ylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-6-4-12(5-7-14)13-8-10-17-11-9-13/h4-7,13,17H,8-11H2,1-3H3
InChIKeyTXXNJBLRNNZIJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl 4-piperidin-4-ylbenzoate

tert-butyl 4-piperidin-4-ylbenzoate (PubChem CID 162482352) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-ylbenzoate.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-ylbenzoate
PubChem CID162482352
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 4-piperidin-4-ylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-6-4-12(5-7-14)13-8-10-17-11-9-13/h4-7,13,17H,8-11H2,1-3H3
InChIKeyTXXNJBLRNNZIJC-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hexylcaine
CID 10770
2-Propanol, 1-(cyclohexylamino)-, 2-benzoate, (S)-
CID 6604266
3-((S)-1-Propyl-piperidin-3-yl)-benzoic acid methyl ester
CID 10355305
tert-Butyl 4-(aminomethyl)benzoate
CID 14514888
1-Methylpiperidin-3-yl 4-(tert-butyl)benzoate hydrochloride
CID 2930003
p-tert-Butylbenzoic acid 2-piperidinoethyl ester hydrochloride
CID 5744689
4-tert-Butyl-benzoic acid 1-methyl-2-morpholin-4-yl-ethyl ester
CID 17065259
Dimethyl 4-[4-(methoxycarbonyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate
CID 607320
Methyl 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylate
CID 9834541
Ethyl 4-(1-azabicyclo[2.2.2]oct-2-en-3-yl)benzoate
CID 44450563
Methyl 4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzoate
CID 58993503
2,2,6,6-Tetramethyl-4-piperidyl benzoate
CID 579967

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-ylbenzoate?
The IUPAC name of tert-butyl 4-piperidin-4-ylbenzoate (CID 162482352) is tert-butyl 4-piperidin-4-ylbenzoate.
What is the SMILES notation for tert-butyl 4-piperidin-4-ylbenzoate?
The canonical SMILES for tert-butyl 4-piperidin-4-ylbenzoate is CC(C)(C)OC(=O)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of tert-butyl 4-piperidin-4-ylbenzoate?
The InChIKey is TXXNJBLRNNZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-6-4-12(5-7-14)13-8-10-17-11-9-13/h4-7,13,17H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-piperidin-4-ylbenzoate?
tert-butyl 4-piperidin-4-ylbenzoate has a molecular weight of 261.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-4-ylbenzoate is sourced from PubChem (CID 162482352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).